N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(2,4-dimethoxyphenyl)guanidine
Chemical Structure Depiction of
N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(2,4-dimethoxyphenyl)guanidine
N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(2,4-dimethoxyphenyl)guanidine
Compound characteristics
| Compound ID: | 5645-0403 |
| Compound Name: | N-(6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(2,4-dimethoxyphenyl)guanidine |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C21 H20 N6 O3 S2 |
| Smiles: | COc1ccc(c(c1)OC)/N=C(\N)NC1NC(CSc2nc3ccccc3s2)=CC(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5324 |
| logD: | 2.1898 |
| logSw: | -3.9898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.287 |
| InChI Key: | LGSBNUAPTXDKKA-UHFFFAOYSA-N |